Information card for entry 7110630

Structure parameters

• Formula: C12 H15 Co O7
• Calculated formula: C12 H8 Co O7
• Title of publication: Seeds obtained from a hydrated polymorph permit crystallisation of an elusive anhydrous organometallic zwitterion
• Authors of publication: Braga, Dario; Maini, Lucia; Polito, Marco; Cojazzi, Gianna; Grepioni, Fabrizia
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 1949
• a: 6.707 ± 0.003 Å
• b: 14.997 ± 0.004 Å
• c: 13.453 ± 0.004 Å
• α: 90°
• β: 99.84 ± 0.02°
• γ: 90°
• Cell volume: 1333.3 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No